| SpectraBase Compound ID | IEJBxTpgNnV |
|---|---|
| InChI | InChI=1S/C11H12O2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2 |
| InChIKey | JYXVDJSLCSZFEX-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5mmNwI6Rx5a |
|---|---|
| Name | 2-oxo-5-Phenylpentanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2 |
| InChIKey | JYXVDJSLCSZFEX-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(C(CCCC=1C=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950871 |